[(3S)-3-cyano-2-oxidanylidene-3-phenyl-propyl]-dihexyl-azanium

Systemtic Name: [(3S)-3-cyano-2-oxidanylidene-3-phenyl-propyl]-dihexyl-azanium Openeye Name: [(3S)-3-cyano-2-oxo-3-phenyl-propyl]-dihexyl-ammonium CAS Name: [(3S)-3-cyano-2-oxo-3-phenylpropyl]-dihexylammonium IUPAC Name: [(3S)-3-cyano-2-oxo-3-phenylpropyl]-dihexylazanium Traditional Name: [(3S)-3-cyano-2-keto-3-phenyl-propyl]-dihexyl-ammonium Formula: C22H35N2O+ MolecularWeight: 343.5261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH+](CCCCCC)CC(=O)C(C#N)C1=CC=CC=C1

Isomeric SMILES

CCCCCC[NH+](CCCCCC)CC(=O)[C@H](C#N)C1=CC=CC=C1

InChI

InChI=1S/C22H34N2O/c1-3-5-7-12-16-24(17-13-8-6-4-2)19-22(25)21(18-23)20-14-10-9-11-15-20/h9-11,14-15,21H,3-8,12-13,16-17,19H2,1-2H3/p+1/t21-/m1/s1